USER MOD reduce.3.24.130724 H: found=0, std=0, add=303, rem=0, adj=3 USER MOD reduce.3.24.130724 removed 299 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 LYS N :NH3+ -111:sc= -0.0179 (180deg=-0.354) USER MOD Single : A 1 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 GLN : amide:sc= 0 X(o=0,f=-0.033) USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 THR OG1 : rot 180:sc= 0.0145 USER MOD Single : A 21 HIS : no HD1:sc= -0.1 X(o=-0.1,f=-0.0039) USER MOD Single : A 23 GLN : amide:sc= -0.145 X(o=-0.15,f=-0.15) USER MOD Single : A 30 ASN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 1 -18.837 -9.438 -6.428 1.00 0.00 N ATOM 2 CA LYS A 1 -17.734 -8.433 -6.565 1.00 0.00 C ATOM 3 C LYS A 1 -17.987 -7.218 -5.655 1.00 0.00 C ATOM 4 O LYS A 1 -19.122 -6.851 -5.406 1.00 0.00 O ATOM 5 CB LYS A 1 -17.706 -8.030 -8.053 1.00 0.00 C ATOM 6 CG LYS A 1 -18.893 -7.122 -8.411 1.00 0.00 C ATOM 7 CD LYS A 1 -19.161 -7.191 -9.919 1.00 0.00 C ATOM 8 CE LYS A 1 -20.201 -6.134 -10.315 1.00 0.00 C ATOM 9 NZ LYS A 1 -21.535 -6.792 -10.161 1.00 0.00 N ATOM 0 H1 LYS A 1 -18.474 -10.289 -5.954 1.00 0.00 H new ATOM 0 H2 LYS A 1 -19.610 -9.030 -5.864 1.00 0.00 H new ATOM 0 H3 LYS A 1 -19.194 -9.693 -7.371 1.00 0.00 H new ATOM 0 HA LYS A 1 -16.774 -8.847 -6.258 1.00 0.00 H new ATOM 0 HB2 LYS A 1 -16.772 -7.514 -8.274 1.00 0.00 H new ATOM 0 HB3 LYS A 1 -17.730 -8.925 -8.674 1.00 0.00 H new ATOM 0 HG2 LYS A 1 -19.780 -7.433 -7.860 1.00 0.00 H new ATOM 0 HG3 LYS A 1 -18.679 -6.095 -8.117 1.00 0.00 H new ATOM 0 HD2 LYS A 1 -18.235 -7.026 -10.469 1.00 0.00 H new ATOM 0 HD3 LYS A 1 -19.519 -8.185 -10.188 1.00 0.00 H new ATOM 0 HE2 LYS A 1 -20.124 -5.253 -9.678 1.00 0.00 H new ATOM 0 HE3 LYS A 1 -20.047 -5.800 -11.341 1.00 0.00 H new ATOM 0 HZ1 LYS A 1 -22.286 -6.119 -10.417 1.00 0.00 H new ATOM 0 HZ2 LYS A 1 -21.587 -7.622 -10.785 1.00 0.00 H new ATOM 0 HZ3 LYS A 1 -21.662 -7.093 -9.174 1.00 0.00 H new ATOM 22 N LEU A 2 -16.938 -6.600 -5.162 1.00 0.00 N ATOM 23 CA LEU A 2 -17.101 -5.410 -4.267 1.00 0.00 C ATOM 24 C LEU A 2 -15.945 -4.420 -4.477 1.00 0.00 C ATOM 25 O LEU A 2 -14.823 -4.676 -4.080 1.00 0.00 O ATOM 26 CB LEU A 2 -17.090 -5.966 -2.836 1.00 0.00 C ATOM 27 CG LEU A 2 -18.371 -5.553 -2.105 1.00 0.00 C ATOM 28 CD1 LEU A 2 -18.617 -6.501 -0.928 1.00 0.00 C ATOM 29 CD2 LEU A 2 -18.226 -4.120 -1.581 1.00 0.00 C ATOM 0 H LEU A 2 -15.971 -6.871 -5.343 1.00 0.00 H new ATOM 0 HA LEU A 2 -18.022 -4.867 -4.477 1.00 0.00 H new ATOM 0 HB2 LEU A 2 -17.009 -7.053 -2.860 1.00 0.00 H new ATOM 0 HB3 LEU A 2 -16.218 -5.593 -2.299 1.00 0.00 H new ATOM 0 HG LEU A 2 -19.212 -5.603 -2.796 1.00 0.00 H new ATOM 0 HD11 LEU A 2 -19.529 -6.207 -0.408 1.00 0.00 H new ATOM 0 HD12 LEU A 2 -18.723 -7.521 -1.298 1.00 0.00 H new ATOM 0 HD13 LEU A 2 -17.774 -6.451 -0.239 1.00 0.00 H new ATOM 0 HD21 LEU A 2 -19.139 -3.829 -1.061 1.00 0.00 H new ATOM 0 HD22 LEU A 2 -17.383 -4.068 -0.891 1.00 0.00 H new ATOM 0 HD23 LEU A 2 -18.053 -3.443 -2.417 1.00 0.00 H new ATOM 41 N PHE A 3 -16.219 -3.295 -5.092 1.00 0.00 N ATOM 42 CA PHE A 3 -15.150 -2.269 -5.330 1.00 0.00 C ATOM 43 C PHE A 3 -15.410 -0.998 -4.500 1.00 0.00 C ATOM 44 O PHE A 3 -14.964 0.083 -4.843 1.00 0.00 O ATOM 45 CB PHE A 3 -15.169 -1.980 -6.840 1.00 0.00 C ATOM 46 CG PHE A 3 -16.520 -1.475 -7.312 1.00 0.00 C ATOM 47 CD1 PHE A 3 -16.837 -0.113 -7.218 1.00 0.00 C ATOM 48 CD2 PHE A 3 -17.454 -2.372 -7.848 1.00 0.00 C ATOM 49 CE1 PHE A 3 -18.082 0.348 -7.657 1.00 0.00 C ATOM 50 CE2 PHE A 3 -18.700 -1.909 -8.287 1.00 0.00 C ATOM 51 CZ PHE A 3 -19.014 -0.549 -8.191 1.00 0.00 C ATOM 0 H PHE A 3 -17.142 -3.040 -5.442 1.00 0.00 H new ATOM 0 HA PHE A 3 -14.170 -2.630 -5.018 1.00 0.00 H new ATOM 0 HB2 PHE A 3 -14.404 -1.240 -7.076 1.00 0.00 H new ATOM 0 HB3 PHE A 3 -14.912 -2.888 -7.385 1.00 0.00 H new ATOM 0 HD1 PHE A 3 -16.119 0.581 -6.806 1.00 0.00 H new ATOM 0 HD2 PHE A 3 -17.212 -3.422 -7.922 1.00 0.00 H new ATOM 0 HE1 PHE A 3 -18.325 1.398 -7.584 1.00 0.00 H new ATOM 0 HE2 PHE A 3 -19.419 -2.601 -8.700 1.00 0.00 H new ATOM 0 HZ PHE A 3 -19.975 -0.191 -8.529 1.00 0.00 H new ATOM 61 N LEU A 4 -16.125 -1.135 -3.409 1.00 0.00 N ATOM 62 CA LEU A 4 -16.435 0.030 -2.526 1.00 0.00 C ATOM 63 C LEU A 4 -16.100 -0.320 -1.073 1.00 0.00 C ATOM 64 O LEU A 4 -14.983 -0.103 -0.647 1.00 0.00 O ATOM 65 CB LEU A 4 -17.935 0.310 -2.717 1.00 0.00 C ATOM 66 CG LEU A 4 -18.177 1.034 -4.043 1.00 0.00 C ATOM 67 CD1 LEU A 4 -19.432 0.465 -4.708 1.00 0.00 C ATOM 68 CD2 LEU A 4 -18.376 2.531 -3.785 1.00 0.00 C ATOM 0 H LEU A 4 -16.513 -2.022 -3.089 1.00 0.00 H new ATOM 0 HA LEU A 4 -15.848 0.914 -2.776 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -18.492 -0.627 -2.700 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -18.306 0.916 -1.891 1.00 0.00 H new ATOM 0 HG LEU A 4 -17.316 0.890 -4.696 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -19.608 0.979 -5.653 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -19.294 -0.600 -4.894 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -20.290 0.611 -4.051 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -18.548 3.044 -4.731 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -19.236 2.676 -3.132 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -17.485 2.940 -3.308 1.00 0.00 H new ATOM 80 N ALA A 5 -17.045 -0.852 -0.321 1.00 0.00 N ATOM 81 CA ALA A 5 -16.801 -1.215 1.116 1.00 0.00 C ATOM 82 C ALA A 5 -16.179 -0.014 1.837 1.00 0.00 C ATOM 83 O ALA A 5 -15.117 -0.114 2.416 1.00 0.00 O ATOM 84 CB ALA A 5 -15.850 -2.420 1.086 1.00 0.00 C ATOM 0 H ALA A 5 -17.989 -1.052 -0.651 1.00 0.00 H new ATOM 0 HA ALA A 5 -17.715 -1.470 1.652 1.00 0.00 H new ATOM 0 HB1 ALA A 5 -15.631 -2.736 2.106 1.00 0.00 H new ATOM 0 HB2 ALA A 5 -16.320 -3.241 0.545 1.00 0.00 H new ATOM 0 HB3 ALA A 5 -14.923 -2.140 0.586 1.00 0.00 H new ATOM 90 N ARG A 6 -16.832 1.131 1.778 1.00 0.00 N ATOM 91 CA ARG A 6 -16.293 2.374 2.426 1.00 0.00 C ATOM 92 C ARG A 6 -14.918 2.696 1.808 1.00 0.00 C ATOM 93 O ARG A 6 -14.012 3.154 2.482 1.00 0.00 O ATOM 94 CB ARG A 6 -16.196 2.065 3.929 1.00 0.00 C ATOM 95 CG ARG A 6 -16.739 3.242 4.748 1.00 0.00 C ATOM 96 CD ARG A 6 -15.616 3.849 5.599 1.00 0.00 C ATOM 97 NE ARG A 6 -14.959 4.861 4.721 1.00 0.00 N ATOM 98 CZ ARG A 6 -14.901 6.112 5.092 1.00 0.00 C ATOM 99 NH1 ARG A 6 -15.959 6.876 4.981 1.00 0.00 N ATOM 100 NH2 ARG A 6 -13.785 6.596 5.576 1.00 0.00 N ATOM 0 H ARG A 6 -17.726 1.255 1.302 1.00 0.00 H new ATOM 0 HA ARG A 6 -16.928 3.247 2.271 1.00 0.00 H new ATOM 0 HB2 ARG A 6 -16.761 1.161 4.159 1.00 0.00 H new ATOM 0 HB3 ARG A 6 -15.159 1.871 4.202 1.00 0.00 H new ATOM 0 HG2 ARG A 6 -17.152 4.000 4.082 1.00 0.00 H new ATOM 0 HG3 ARG A 6 -17.552 2.905 5.391 1.00 0.00 H new ATOM 0 HD2 ARG A 6 -16.013 4.311 6.503 1.00 0.00 H new ATOM 0 HD3 ARG A 6 -14.907 3.085 5.917 1.00 0.00 H new ATOM 0 HE ARG A 6 -14.554 4.575 3.829 1.00 0.00 H new ATOM 0 HH11 ARG A 6 -16.827 6.494 4.605 1.00 0.00 H new ATOM 0 HH12 ARG A 6 -15.915 7.853 5.270 1.00 0.00 H new ATOM 0 HH21 ARG A 6 -12.964 5.997 5.662 1.00 0.00 H new ATOM 0 HH22 ARG A 6 -13.736 7.573 5.867 1.00 0.00 H new ATOM 114 N LEU A 7 -14.788 2.439 0.517 1.00 0.00 N ATOM 115 CA LEU A 7 -13.522 2.677 -0.259 1.00 0.00 C ATOM 116 C LEU A 7 -12.372 1.778 0.243 1.00 0.00 C ATOM 117 O LEU A 7 -11.212 2.107 0.071 1.00 0.00 O ATOM 118 CB LEU A 7 -13.171 4.166 -0.116 1.00 0.00 C ATOM 119 CG LEU A 7 -14.303 5.045 -0.665 1.00 0.00 C ATOM 120 CD1 LEU A 7 -14.158 6.468 -0.119 1.00 0.00 C ATOM 121 CD2 LEU A 7 -14.232 5.085 -2.195 1.00 0.00 C ATOM 0 H LEU A 7 -15.545 2.057 -0.050 1.00 0.00 H new ATOM 0 HA LEU A 7 -13.670 2.421 -1.308 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -12.995 4.404 0.933 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -12.246 4.380 -0.651 1.00 0.00 H new ATOM 0 HG LEU A 7 -15.261 4.628 -0.355 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -14.962 7.091 -0.510 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -14.211 6.447 0.970 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -13.197 6.880 -0.428 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -15.037 5.710 -2.580 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -13.272 5.499 -2.504 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -14.336 4.075 -2.591 1.00 0.00 H new ATOM 133 N ILE A 8 -12.683 0.644 0.850 1.00 0.00 N ATOM 134 CA ILE A 8 -11.606 -0.277 1.354 1.00 0.00 C ATOM 135 C ILE A 8 -10.887 -0.933 0.168 1.00 0.00 C ATOM 136 O ILE A 8 -9.681 -0.829 0.049 1.00 0.00 O ATOM 137 CB ILE A 8 -12.319 -1.302 2.270 1.00 0.00 C ATOM 138 CG1 ILE A 8 -12.063 -0.912 3.725 1.00 0.00 C ATOM 139 CG2 ILE A 8 -11.789 -2.732 2.064 1.00 0.00 C ATOM 140 CD1 ILE A 8 -12.786 0.393 4.078 1.00 0.00 C ATOM 0 H ILE A 8 -13.636 0.321 1.016 1.00 0.00 H new ATOM 0 HA ILE A 8 -10.833 0.244 1.918 1.00 0.00 H new ATOM 0 HB ILE A 8 -13.380 -1.289 2.022 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -12.403 -1.710 4.385 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -10.992 -0.795 3.891 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -12.319 -3.415 2.728 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -11.949 -3.034 1.029 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -10.723 -2.761 2.289 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -12.588 0.649 5.119 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -12.426 1.194 3.433 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -13.859 0.265 3.934 1.00 0.00 H new ATOM 152 N TRP A 9 -11.621 -1.598 -0.697 1.00 0.00 N ATOM 153 CA TRP A 9 -11.002 -2.269 -1.893 1.00 0.00 C ATOM 154 C TRP A 9 -10.121 -1.267 -2.663 1.00 0.00 C ATOM 155 O TRP A 9 -9.025 -1.593 -3.081 1.00 0.00 O ATOM 156 CB TRP A 9 -12.182 -2.736 -2.759 1.00 0.00 C ATOM 157 CG TRP A 9 -11.737 -3.815 -3.697 1.00 0.00 C ATOM 158 CD1 TRP A 9 -11.176 -3.608 -4.911 1.00 0.00 C ATOM 159 CD2 TRP A 9 -11.807 -5.261 -3.522 1.00 0.00 C ATOM 160 NE1 TRP A 9 -10.898 -4.831 -5.491 1.00 0.00 N ATOM 161 CE2 TRP A 9 -11.269 -5.882 -4.675 1.00 0.00 C ATOM 162 CE3 TRP A 9 -12.280 -6.086 -2.486 1.00 0.00 C ATOM 163 CZ2 TRP A 9 -11.204 -7.273 -4.794 1.00 0.00 C ATOM 164 CZ3 TRP A 9 -12.217 -7.483 -2.602 1.00 0.00 C ATOM 165 CH2 TRP A 9 -11.680 -8.075 -3.753 1.00 0.00 C ATOM 0 H TRP A 9 -12.633 -1.706 -0.626 1.00 0.00 H new ATOM 0 HA TRP A 9 -10.362 -3.104 -1.610 1.00 0.00 H new ATOM 0 HB2 TRP A 9 -12.986 -3.105 -2.123 1.00 0.00 H new ATOM 0 HB3 TRP A 9 -12.584 -1.895 -3.324 1.00 0.00 H new ATOM 0 HD1 TRP A 9 -10.978 -2.643 -5.355 1.00 0.00 H new ATOM 0 HE1 TRP A 9 -10.471 -4.944 -6.410 1.00 0.00 H new ATOM 0 HE3 TRP A 9 -12.695 -5.641 -1.594 1.00 0.00 H new ATOM 0 HZ2 TRP A 9 -10.789 -7.725 -5.683 1.00 0.00 H new ATOM 0 HZ3 TRP A 9 -12.584 -8.106 -1.800 1.00 0.00 H new ATOM 0 HH2 TRP A 9 -11.634 -9.151 -3.836 1.00 0.00 H new ATOM 176 N TRP A 10 -10.598 -0.053 -2.830 1.00 0.00 N ATOM 177 CA TRP A 10 -9.809 0.997 -3.554 1.00 0.00 C ATOM 178 C TRP A 10 -8.538 1.327 -2.749 1.00 0.00 C ATOM 179 O TRP A 10 -7.450 1.363 -3.296 1.00 0.00 O ATOM 180 CB TRP A 10 -10.759 2.208 -3.662 1.00 0.00 C ATOM 181 CG TRP A 10 -9.983 3.481 -3.813 1.00 0.00 C ATOM 182 CD1 TRP A 10 -9.839 4.418 -2.850 1.00 0.00 C ATOM 183 CD2 TRP A 10 -9.242 3.966 -4.970 1.00 0.00 C ATOM 184 NE1 TRP A 10 -9.058 5.448 -3.340 1.00 0.00 N ATOM 185 CE2 TRP A 10 -8.667 5.216 -4.643 1.00 0.00 C ATOM 186 CE3 TRP A 10 -9.017 3.447 -6.256 1.00 0.00 C ATOM 187 CZ2 TRP A 10 -7.893 5.928 -5.563 1.00 0.00 C ATOM 188 CZ3 TRP A 10 -8.242 4.158 -7.184 1.00 0.00 C ATOM 189 CH2 TRP A 10 -7.681 5.396 -6.839 1.00 0.00 C ATOM 0 H TRP A 10 -11.509 0.257 -2.492 1.00 0.00 H new ATOM 0 HA TRP A 10 -9.475 0.681 -4.542 1.00 0.00 H new ATOM 0 HB2 TRP A 10 -11.424 2.079 -4.516 1.00 0.00 H new ATOM 0 HB3 TRP A 10 -11.388 2.263 -2.773 1.00 0.00 H new ATOM 0 HD1 TRP A 10 -10.265 4.370 -1.859 1.00 0.00 H new ATOM 0 HE1 TRP A 10 -8.802 6.277 -2.804 1.00 0.00 H new ATOM 0 HE3 TRP A 10 -9.444 2.494 -6.532 1.00 0.00 H new ATOM 0 HZ2 TRP A 10 -7.462 6.880 -5.291 1.00 0.00 H new ATOM 0 HZ3 TRP A 10 -8.076 3.750 -8.170 1.00 0.00 H new ATOM 0 HH2 TRP A 10 -7.085 5.938 -7.558 1.00 0.00 H new ATOM 200 N LEU A 11 -8.674 1.563 -1.462 1.00 0.00 N ATOM 201 CA LEU A 11 -7.479 1.886 -0.616 1.00 0.00 C ATOM 202 C LEU A 11 -6.536 0.677 -0.574 1.00 0.00 C ATOM 203 O LEU A 11 -5.341 0.829 -0.730 1.00 0.00 O ATOM 204 CB LEU A 11 -8.016 2.206 0.790 1.00 0.00 C ATOM 205 CG LEU A 11 -7.612 3.623 1.227 1.00 0.00 C ATOM 206 CD1 LEU A 11 -6.091 3.713 1.384 1.00 0.00 C ATOM 207 CD2 LEU A 11 -8.080 4.651 0.189 1.00 0.00 C ATOM 0 H LEU A 11 -9.563 1.545 -0.962 1.00 0.00 H new ATOM 0 HA LEU A 11 -6.916 2.729 -1.016 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -9.102 2.116 0.797 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -7.631 1.478 1.504 1.00 0.00 H new ATOM 0 HG LEU A 11 -8.086 3.838 2.185 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -5.816 4.721 1.694 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -5.760 2.999 2.138 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -5.613 3.483 0.432 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -7.788 5.651 0.510 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -7.620 4.430 -0.774 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -9.165 4.603 0.093 1.00 0.00 H new ATOM 219 N GLN A 12 -7.074 -0.510 -0.373 1.00 0.00 N ATOM 220 CA GLN A 12 -6.239 -1.757 -0.323 1.00 0.00 C ATOM 221 C GLN A 12 -5.392 -1.886 -1.597 1.00 0.00 C ATOM 222 O GLN A 12 -4.248 -2.294 -1.536 1.00 0.00 O ATOM 223 CB GLN A 12 -7.232 -2.919 -0.216 1.00 0.00 C ATOM 224 CG GLN A 12 -6.582 -4.089 0.529 1.00 0.00 C ATOM 225 CD GLN A 12 -7.129 -4.154 1.961 1.00 0.00 C ATOM 226 OE1 GLN A 12 -8.287 -4.458 2.166 1.00 0.00 O ATOM 227 NE2 GLN A 12 -6.346 -3.877 2.968 1.00 0.00 N ATOM 0 H GLN A 12 -8.073 -0.667 -0.240 1.00 0.00 H new ATOM 0 HA GLN A 12 -5.547 -1.744 0.519 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -8.130 -2.595 0.310 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -7.543 -3.237 -1.211 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -6.787 -5.024 0.008 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -5.499 -3.965 0.548 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -5.373 -3.621 2.802 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -6.707 -3.916 3.921 1.00 0.00 H new ATOM 236 N TYR A 13 -5.948 -1.532 -2.739 1.00 0.00 N ATOM 237 CA TYR A 13 -5.189 -1.615 -4.028 1.00 0.00 C ATOM 238 C TYR A 13 -3.907 -0.777 -3.910 1.00 0.00 C ATOM 239 O TYR A 13 -2.836 -1.204 -4.306 1.00 0.00 O ATOM 240 CB TYR A 13 -6.133 -1.035 -5.090 1.00 0.00 C ATOM 241 CG TYR A 13 -5.712 -1.490 -6.466 1.00 0.00 C ATOM 242 CD1 TYR A 13 -5.732 -2.853 -6.793 1.00 0.00 C ATOM 243 CD2 TYR A 13 -5.302 -0.549 -7.416 1.00 0.00 C ATOM 244 CE1 TYR A 13 -5.342 -3.270 -8.069 1.00 0.00 C ATOM 245 CE2 TYR A 13 -4.912 -0.966 -8.693 1.00 0.00 C ATOM 246 CZ TYR A 13 -4.932 -2.327 -9.019 1.00 0.00 C ATOM 247 OH TYR A 13 -4.549 -2.741 -10.277 1.00 0.00 O ATOM 0 H TYR A 13 -6.904 -1.187 -2.829 1.00 0.00 H new ATOM 0 HA TYR A 13 -4.891 -2.632 -4.283 1.00 0.00 H new ATOM 0 HB2 TYR A 13 -7.156 -1.354 -4.891 1.00 0.00 H new ATOM 0 HB3 TYR A 13 -6.123 0.054 -5.040 1.00 0.00 H new ATOM 0 HD1 TYR A 13 -6.048 -3.580 -6.060 1.00 0.00 H new ATOM 0 HD2 TYR A 13 -5.286 0.501 -7.163 1.00 0.00 H new ATOM 0 HE1 TYR A 13 -5.357 -4.320 -8.322 1.00 0.00 H new ATOM 0 HE2 TYR A 13 -4.596 -0.239 -9.426 1.00 0.00 H new ATOM 0 HH TYR A 13 -4.295 -1.962 -10.814 1.00 0.00 H new ATOM 257 N PHE A 14 -4.020 0.407 -3.349 1.00 0.00 N ATOM 258 CA PHE A 14 -2.827 1.289 -3.176 1.00 0.00 C ATOM 259 C PHE A 14 -2.030 0.864 -1.931 1.00 0.00 C ATOM 260 O PHE A 14 -0.821 0.977 -1.921 1.00 0.00 O ATOM 261 CB PHE A 14 -3.374 2.711 -3.011 1.00 0.00 C ATOM 262 CG PHE A 14 -2.232 3.699 -3.081 1.00 0.00 C ATOM 263 CD1 PHE A 14 -1.604 3.956 -4.305 1.00 0.00 C ATOM 264 CD2 PHE A 14 -1.800 4.353 -1.922 1.00 0.00 C ATOM 265 CE1 PHE A 14 -0.544 4.868 -4.372 1.00 0.00 C ATOM 266 CE2 PHE A 14 -0.740 5.266 -1.987 1.00 0.00 C ATOM 267 CZ PHE A 14 -0.112 5.523 -3.212 1.00 0.00 C ATOM 0 H PHE A 14 -4.896 0.799 -3.003 1.00 0.00 H new ATOM 0 HA PHE A 14 -2.150 1.224 -4.027 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -4.103 2.925 -3.792 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -3.893 2.805 -2.057 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -1.938 3.450 -5.199 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -2.284 4.154 -0.977 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -0.060 5.066 -5.317 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -0.407 5.772 -1.093 1.00 0.00 H new ATOM 0 HZ PHE A 14 0.706 6.227 -3.262 1.00 0.00 H new ATOM 277 N ILE A 15 -2.694 0.383 -0.895 1.00 0.00 N ATOM 278 CA ILE A 15 -1.981 -0.051 0.353 1.00 0.00 C ATOM 279 C ILE A 15 -0.902 -1.090 0.009 1.00 0.00 C ATOM 280 O ILE A 15 0.215 -0.973 0.471 1.00 0.00 O ATOM 281 CB ILE A 15 -3.067 -0.624 1.287 1.00 0.00 C ATOM 282 CG1 ILE A 15 -3.838 0.533 1.939 1.00 0.00 C ATOM 283 CG2 ILE A 15 -2.433 -1.481 2.392 1.00 0.00 C ATOM 284 CD1 ILE A 15 -5.123 0.012 2.595 1.00 0.00 C ATOM 0 H ILE A 15 -3.708 0.273 -0.865 1.00 0.00 H new ATOM 0 HA ILE A 15 -1.463 0.774 0.842 1.00 0.00 H new ATOM 0 HB ILE A 15 -3.741 -1.245 0.697 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -3.212 1.021 2.686 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -4.083 1.284 1.188 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -3.215 -1.876 3.040 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -1.884 -2.308 1.941 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -1.749 -0.869 2.980 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -5.660 0.842 3.053 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -5.754 -0.455 1.839 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -4.869 -0.722 3.360 1.00 0.00 H new ATOM 296 N THR A 16 -1.216 -2.087 -0.799 1.00 0.00 N ATOM 297 CA THR A 16 -0.190 -3.122 -1.175 1.00 0.00 C ATOM 298 C THR A 16 1.054 -2.425 -1.746 1.00 0.00 C ATOM 299 O THR A 16 2.173 -2.733 -1.369 1.00 0.00 O ATOM 300 CB THR A 16 -0.845 -4.016 -2.242 1.00 0.00 C ATOM 301 OG1 THR A 16 -2.119 -4.457 -1.791 1.00 0.00 O ATOM 302 CG2 THR A 16 0.040 -5.235 -2.510 1.00 0.00 C ATOM 0 H THR A 16 -2.138 -2.226 -1.213 1.00 0.00 H new ATOM 0 HA THR A 16 0.124 -3.713 -0.315 1.00 0.00 H new ATOM 0 HB THR A 16 -0.964 -3.439 -3.159 1.00 0.00 H new ATOM 0 HG1 THR A 16 -2.530 -5.024 -2.476 1.00 0.00 H new ATOM 0 HG21 THR A 16 -0.428 -5.865 -3.266 1.00 0.00 H new ATOM 0 HG22 THR A 16 1.016 -4.905 -2.866 1.00 0.00 H new ATOM 0 HG23 THR A 16 0.163 -5.805 -1.589 1.00 0.00 H new ATOM 310 N ARG A 17 0.859 -1.479 -2.641 1.00 0.00 N ATOM 311 CA ARG A 17 2.021 -0.743 -3.232 1.00 0.00 C ATOM 312 C ARG A 17 2.663 0.129 -2.146 1.00 0.00 C ATOM 313 O ARG A 17 3.869 0.121 -1.984 1.00 0.00 O ATOM 314 CB ARG A 17 1.452 0.118 -4.369 1.00 0.00 C ATOM 315 CG ARG A 17 1.732 -0.559 -5.715 1.00 0.00 C ATOM 316 CD ARG A 17 0.414 -0.823 -6.460 1.00 0.00 C ATOM 317 NE ARG A 17 0.025 0.473 -7.100 1.00 0.00 N ATOM 318 CZ ARG A 17 0.792 1.031 -8.006 1.00 0.00 C ATOM 319 NH1 ARG A 17 0.916 0.479 -9.189 1.00 0.00 N ATOM 320 NH2 ARG A 17 1.432 2.138 -7.725 1.00 0.00 N ATOM 0 H ARG A 17 -0.056 -1.188 -2.985 1.00 0.00 H new ATOM 0 HA ARG A 17 2.789 -1.416 -3.614 1.00 0.00 H new ATOM 0 HB2 ARG A 17 0.379 0.253 -4.235 1.00 0.00 H new ATOM 0 HB3 ARG A 17 1.903 1.110 -4.348 1.00 0.00 H new ATOM 0 HG2 ARG A 17 2.380 0.074 -6.321 1.00 0.00 H new ATOM 0 HG3 ARG A 17 2.262 -1.498 -5.555 1.00 0.00 H new ATOM 0 HD2 ARG A 17 0.541 -1.604 -7.210 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -0.360 -1.164 -5.772 1.00 0.00 H new ATOM 0 HE ARG A 17 -0.847 0.928 -6.828 1.00 0.00 H new ATOM 0 HH11 ARG A 17 0.416 -0.384 -9.404 1.00 0.00 H new ATOM 0 HH12 ARG A 17 1.512 0.912 -9.894 1.00 0.00 H new ATOM 0 HH21 ARG A 17 1.333 2.564 -6.804 1.00 0.00 H new ATOM 0 HH22 ARG A 17 2.029 2.574 -8.427 1.00 0.00 H new ATOM 334 N ALA A 18 1.860 0.863 -1.402 1.00 0.00 N ATOM 335 CA ALA A 18 2.396 1.737 -0.306 1.00 0.00 C ATOM 336 C ALA A 18 3.244 0.905 0.667 1.00 0.00 C ATOM 337 O ALA A 18 4.277 1.352 1.131 1.00 0.00 O ATOM 338 CB ALA A 18 1.168 2.308 0.409 1.00 0.00 C ATOM 0 H ALA A 18 0.846 0.892 -1.511 1.00 0.00 H new ATOM 0 HA ALA A 18 3.035 2.529 -0.696 1.00 0.00 H new ATOM 0 HB1 ALA A 18 1.490 2.957 1.223 1.00 0.00 H new ATOM 0 HB2 ALA A 18 0.570 2.882 -0.298 1.00 0.00 H new ATOM 0 HB3 ALA A 18 0.569 1.491 0.812 1.00 0.00 H new ATOM 344 N GLU A 19 2.819 -0.304 0.968 1.00 0.00 N ATOM 345 CA GLU A 19 3.595 -1.177 1.899 1.00 0.00 C ATOM 346 C GLU A 19 4.951 -1.506 1.270 1.00 0.00 C ATOM 347 O GLU A 19 5.971 -1.335 1.907 1.00 0.00 O ATOM 348 CB GLU A 19 2.749 -2.437 2.100 1.00 0.00 C ATOM 349 CG GLU A 19 1.618 -2.121 3.083 1.00 0.00 C ATOM 350 CD GLU A 19 0.561 -3.230 3.053 1.00 0.00 C ATOM 351 OE1 GLU A 19 0.016 -3.490 1.992 1.00 0.00 O ATOM 352 OE2 GLU A 19 0.315 -3.802 4.101 1.00 0.00 O ATOM 0 H GLU A 19 1.962 -0.721 0.604 1.00 0.00 H new ATOM 0 HA GLU A 19 3.793 -0.696 2.857 1.00 0.00 H new ATOM 0 HB2 GLU A 19 2.338 -2.772 1.147 1.00 0.00 H new ATOM 0 HB3 GLU A 19 3.367 -3.249 2.484 1.00 0.00 H new ATOM 0 HG2 GLU A 19 2.021 -2.020 4.091 1.00 0.00 H new ATOM 0 HG3 GLU A 19 1.160 -1.166 2.826 1.00 0.00 H new ATOM 359 N ALA A 20 4.971 -1.956 0.030 1.00 0.00 N ATOM 360 CA ALA A 20 6.269 -2.281 -0.654 1.00 0.00 C ATOM 361 C ALA A 20 7.182 -1.047 -0.648 1.00 0.00 C ATOM 362 O ALA A 20 8.381 -1.179 -0.484 1.00 0.00 O ATOM 363 CB ALA A 20 5.904 -2.688 -2.084 1.00 0.00 C ATOM 0 H ALA A 20 4.138 -2.112 -0.538 1.00 0.00 H new ATOM 0 HA ALA A 20 6.808 -3.083 -0.149 1.00 0.00 H new ATOM 0 HB1 ALA A 20 6.811 -2.937 -2.634 1.00 0.00 H new ATOM 0 HB2 ALA A 20 5.245 -3.556 -2.058 1.00 0.00 H new ATOM 0 HB3 ALA A 20 5.395 -1.861 -2.579 1.00 0.00 H new ATOM 369 N HIS A 21 6.625 0.142 -0.796 1.00 0.00 N ATOM 370 CA HIS A 21 7.466 1.386 -0.768 1.00 0.00 C ATOM 371 C HIS A 21 8.183 1.450 0.593 1.00 0.00 C ATOM 372 O HIS A 21 9.293 1.937 0.701 1.00 0.00 O ATOM 373 CB HIS A 21 6.498 2.565 -0.931 1.00 0.00 C ATOM 374 CG HIS A 21 6.302 2.867 -2.393 1.00 0.00 C ATOM 375 ND1 HIS A 21 7.269 3.505 -3.153 1.00 0.00 N ATOM 376 CD2 HIS A 21 5.255 2.624 -3.248 1.00 0.00 C ATOM 377 CE1 HIS A 21 6.790 3.624 -4.404 1.00 0.00 C ATOM 378 NE2 HIS A 21 5.565 3.103 -4.518 1.00 0.00 N ATOM 0 H HIS A 21 5.627 0.300 -0.934 1.00 0.00 H new ATOM 0 HA HIS A 21 8.219 1.405 -1.556 1.00 0.00 H new ATOM 0 HB2 HIS A 21 5.540 2.327 -0.468 1.00 0.00 H new ATOM 0 HB3 HIS A 21 6.891 3.443 -0.419 1.00 0.00 H new ATOM 0 HD2 HIS A 21 4.331 2.135 -2.976 1.00 0.00 H new ATOM 0 HE1 HIS A 21 7.330 4.085 -5.218 1.00 0.00 H new ATOM 0 HE2 HIS A 21 4.983 3.064 -5.355 1.00 0.00 H new ATOM 386 N LEU A 22 7.545 0.932 1.622 1.00 0.00 N ATOM 387 CA LEU A 22 8.140 0.904 2.991 1.00 0.00 C ATOM 388 C LEU A 22 8.637 -0.529 3.275 1.00 0.00 C ATOM 389 O LEU A 22 8.602 -0.990 4.402 1.00 0.00 O ATOM 390 CB LEU A 22 6.984 1.278 3.932 1.00 0.00 C ATOM 391 CG LEU A 22 6.898 2.800 4.098 1.00 0.00 C ATOM 392 CD1 LEU A 22 6.067 3.405 2.964 1.00 0.00 C ATOM 393 CD2 LEU A 22 6.224 3.116 5.434 1.00 0.00 C ATOM 0 H LEU A 22 6.614 0.519 1.562 1.00 0.00 H new ATOM 0 HA LEU A 22 8.984 1.583 3.114 1.00 0.00 H new ATOM 0 HB2 LEU A 22 6.044 0.896 3.533 1.00 0.00 H new ATOM 0 HB3 LEU A 22 7.132 0.808 4.904 1.00 0.00 H new ATOM 0 HG LEU A 22 7.902 3.223 4.072 1.00 0.00 H new ATOM 0 HD11 LEU A 22 6.012 4.486 3.090 1.00 0.00 H new ATOM 0 HD12 LEU A 22 6.535 3.175 2.007 1.00 0.00 H new ATOM 0 HD13 LEU A 22 5.061 2.985 2.986 1.00 0.00 H new ATOM 0 HD21 LEU A 22 6.158 4.196 5.562 1.00 0.00 H new ATOM 0 HD22 LEU A 22 5.222 2.687 5.446 1.00 0.00 H new ATOM 0 HD23 LEU A 22 6.811 2.690 6.247 1.00 0.00 H new ATOM 405 N GLN A 23 9.092 -1.231 2.247 1.00 0.00 N ATOM 406 CA GLN A 23 9.597 -2.639 2.384 1.00 0.00 C ATOM 407 C GLN A 23 8.566 -3.522 3.103 1.00 0.00 C ATOM 408 O GLN A 23 8.890 -4.227 4.042 1.00 0.00 O ATOM 409 CB GLN A 23 10.905 -2.548 3.175 1.00 0.00 C ATOM 410 CG GLN A 23 11.985 -1.834 2.350 1.00 0.00 C ATOM 411 CD GLN A 23 12.352 -2.673 1.121 1.00 0.00 C ATOM 412 OE1 GLN A 23 12.028 -2.311 0.009 1.00 0.00 O ATOM 413 NE2 GLN A 23 13.018 -3.786 1.272 1.00 0.00 N ATOM 0 H GLN A 23 9.132 -0.869 1.294 1.00 0.00 H new ATOM 0 HA GLN A 23 9.764 -3.099 1.410 1.00 0.00 H new ATOM 0 HB2 GLN A 23 10.736 -2.009 4.107 1.00 0.00 H new ATOM 0 HB3 GLN A 23 11.245 -3.548 3.442 1.00 0.00 H new ATOM 0 HG2 GLN A 23 11.625 -0.854 2.036 1.00 0.00 H new ATOM 0 HG3 GLN A 23 12.871 -1.667 2.963 1.00 0.00 H new ATOM 0 HE21 GLN A 23 13.292 -4.094 2.205 1.00 0.00 H new ATOM 0 HE22 GLN A 23 13.264 -4.348 0.457 1.00 0.00 H new ATOM 422 N VAL A 24 7.329 -3.464 2.644 1.00 0.00 N ATOM 423 CA VAL A 24 6.183 -4.251 3.218 1.00 0.00 C ATOM 424 C VAL A 24 6.316 -4.452 4.736 1.00 0.00 C ATOM 425 O VAL A 24 6.591 -5.539 5.211 1.00 0.00 O ATOM 426 CB VAL A 24 6.111 -5.580 2.438 1.00 0.00 C ATOM 427 CG1 VAL A 24 5.616 -5.311 1.014 1.00 0.00 C ATOM 428 CG2 VAL A 24 7.484 -6.264 2.359 1.00 0.00 C ATOM 0 H VAL A 24 7.059 -2.874 1.857 1.00 0.00 H new ATOM 0 HA VAL A 24 5.248 -3.704 3.101 1.00 0.00 H new ATOM 0 HB VAL A 24 5.423 -6.239 2.968 1.00 0.00 H new ATOM 0 HG11 VAL A 24 5.565 -6.250 0.463 1.00 0.00 H new ATOM 0 HG12 VAL A 24 4.625 -4.859 1.053 1.00 0.00 H new ATOM 0 HG13 VAL A 24 6.305 -4.632 0.511 1.00 0.00 H new ATOM 0 HG21 VAL A 24 7.394 -7.197 1.803 1.00 0.00 H new ATOM 0 HG22 VAL A 24 8.190 -5.606 1.852 1.00 0.00 H new ATOM 0 HG23 VAL A 24 7.844 -6.475 3.366 1.00 0.00 H new ATOM 438 N TRP A 25 6.116 -3.380 5.476 1.00 0.00 N ATOM 439 CA TRP A 25 6.209 -3.396 6.974 1.00 0.00 C ATOM 440 C TRP A 25 7.633 -3.750 7.432 1.00 0.00 C ATOM 441 O TRP A 25 8.011 -4.906 7.502 1.00 0.00 O ATOM 442 CB TRP A 25 5.175 -4.423 7.467 1.00 0.00 C ATOM 443 CG TRP A 25 5.160 -4.456 8.965 1.00 0.00 C ATOM 444 CD1 TRP A 25 5.756 -5.405 9.722 1.00 0.00 C ATOM 445 CD2 TRP A 25 4.534 -3.523 9.896 1.00 0.00 C ATOM 446 NE1 TRP A 25 5.538 -5.117 11.056 1.00 0.00 N ATOM 447 CE2 TRP A 25 4.790 -3.968 11.216 1.00 0.00 C ATOM 448 CE3 TRP A 25 3.779 -2.349 9.727 1.00 0.00 C ATOM 449 CZ2 TRP A 25 4.313 -3.270 12.327 1.00 0.00 C ATOM 450 CZ3 TRP A 25 3.297 -1.647 10.842 1.00 0.00 C ATOM 451 CH2 TRP A 25 3.564 -2.105 12.139 1.00 0.00 C ATOM 0 H TRP A 25 5.885 -2.466 5.087 1.00 0.00 H new ATOM 0 HA TRP A 25 5.996 -2.413 7.395 1.00 0.00 H new ATOM 0 HB2 TRP A 25 4.185 -4.164 7.091 1.00 0.00 H new ATOM 0 HB3 TRP A 25 5.416 -5.411 7.076 1.00 0.00 H new ATOM 0 HD1 TRP A 25 6.312 -6.251 9.345 1.00 0.00 H new ATOM 0 HE1 TRP A 25 5.887 -5.684 11.828 1.00 0.00 H new ATOM 0 HE3 TRP A 25 3.569 -1.985 8.732 1.00 0.00 H new ATOM 0 HZ2 TRP A 25 4.521 -3.628 13.325 1.00 0.00 H new ATOM 0 HZ3 TRP A 25 2.716 -0.748 10.700 1.00 0.00 H new ATOM 0 HH2 TRP A 25 3.191 -1.558 12.993 1.00 0.00 H new ATOM 462 N ILE A 26 8.424 -2.750 7.749 1.00 0.00 N ATOM 463 CA ILE A 26 9.829 -3.000 8.212 1.00 0.00 C ATOM 464 C ILE A 26 9.879 -3.148 9.754 1.00 0.00 C ATOM 465 O ILE A 26 9.644 -2.195 10.476 1.00 0.00 O ATOM 466 CB ILE A 26 10.659 -1.801 7.694 1.00 0.00 C ATOM 467 CG1 ILE A 26 12.152 -2.065 7.922 1.00 0.00 C ATOM 468 CG2 ILE A 26 10.277 -0.492 8.401 1.00 0.00 C ATOM 469 CD1 ILE A 26 12.685 -3.031 6.861 1.00 0.00 C ATOM 0 H ILE A 26 8.155 -1.767 7.707 1.00 0.00 H new ATOM 0 HA ILE A 26 10.235 -3.934 7.824 1.00 0.00 H new ATOM 0 HB ILE A 26 10.446 -1.694 6.630 1.00 0.00 H new ATOM 0 HG12 ILE A 26 12.705 -1.127 7.881 1.00 0.00 H new ATOM 0 HG13 ILE A 26 12.307 -2.483 8.916 1.00 0.00 H new ATOM 0 HG21 ILE A 26 10.883 0.324 8.008 1.00 0.00 H new ATOM 0 HG22 ILE A 26 9.223 -0.278 8.226 1.00 0.00 H new ATOM 0 HG23 ILE A 26 10.454 -0.592 9.472 1.00 0.00 H new ATOM 0 HD11 ILE A 26 13.746 -3.211 7.033 1.00 0.00 H new ATOM 0 HD12 ILE A 26 12.142 -3.974 6.922 1.00 0.00 H new ATOM 0 HD13 ILE A 26 12.547 -2.597 5.871 1.00 0.00 H new ATOM 481 N PRO A 27 10.182 -4.345 10.222 1.00 0.00 N ATOM 482 CA PRO A 27 10.258 -4.601 11.691 1.00 0.00 C ATOM 483 C PRO A 27 11.390 -3.831 12.418 1.00 0.00 C ATOM 484 O PRO A 27 11.133 -3.317 13.492 1.00 0.00 O ATOM 485 CB PRO A 27 10.388 -6.122 11.788 1.00 0.00 C ATOM 486 CG PRO A 27 10.958 -6.557 10.480 1.00 0.00 C ATOM 487 CD PRO A 27 10.478 -5.568 9.449 1.00 0.00 C ATOM 0 HA PRO A 27 9.377 -4.225 12.211 1.00 0.00 H new ATOM 0 HB2 PRO A 27 11.039 -6.408 12.614 1.00 0.00 H new ATOM 0 HB3 PRO A 27 9.419 -6.588 11.969 1.00 0.00 H new ATOM 0 HG2 PRO A 27 12.047 -6.577 10.520 1.00 0.00 H new ATOM 0 HG3 PRO A 27 10.630 -7.566 10.231 1.00 0.00 H new ATOM 0 HD2 PRO A 27 11.239 -5.384 8.691 1.00 0.00 H new ATOM 0 HD3 PRO A 27 9.592 -5.934 8.930 1.00 0.00 H new ATOM 495 N PRO A 28 12.592 -3.743 11.863 1.00 0.00 N ATOM 496 CA PRO A 28 13.684 -2.992 12.556 1.00 0.00 C ATOM 497 C PRO A 28 13.385 -1.482 12.561 1.00 0.00 C ATOM 498 O PRO A 28 12.447 -1.023 11.931 1.00 0.00 O ATOM 499 CB PRO A 28 14.928 -3.298 11.722 1.00 0.00 C ATOM 500 CG PRO A 28 14.398 -3.629 10.369 1.00 0.00 C ATOM 501 CD PRO A 28 13.074 -4.300 10.588 1.00 0.00 C ATOM 0 HA PRO A 28 13.799 -3.281 13.601 1.00 0.00 H new ATOM 0 HB2 PRO A 28 15.602 -2.442 11.686 1.00 0.00 H new ATOM 0 HB3 PRO A 28 15.492 -4.131 12.142 1.00 0.00 H new ATOM 0 HG2 PRO A 28 14.282 -2.729 9.766 1.00 0.00 H new ATOM 0 HG3 PRO A 28 15.083 -4.286 9.833 1.00 0.00 H new ATOM 0 HD2 PRO A 28 12.381 -4.088 9.774 1.00 0.00 H new ATOM 0 HD3 PRO A 28 13.181 -5.383 10.642 1.00 0.00 H new ATOM 509 N LEU A 29 14.181 -0.710 13.260 1.00 0.00 N ATOM 510 CA LEU A 29 13.962 0.772 13.312 1.00 0.00 C ATOM 511 C LEU A 29 14.801 1.478 12.231 1.00 0.00 C ATOM 512 O LEU A 29 15.443 2.481 12.484 1.00 0.00 O ATOM 513 CB LEU A 29 14.391 1.195 14.727 1.00 0.00 C ATOM 514 CG LEU A 29 13.186 1.754 15.491 1.00 0.00 C ATOM 515 CD1 LEU A 29 13.463 1.703 16.994 1.00 0.00 C ATOM 516 CD2 LEU A 29 12.941 3.207 15.069 1.00 0.00 C ATOM 0 H LEU A 29 14.979 -1.044 13.801 1.00 0.00 H new ATOM 0 HA LEU A 29 12.925 1.045 13.116 1.00 0.00 H new ATOM 0 HB2 LEU A 29 14.807 0.341 15.261 1.00 0.00 H new ATOM 0 HB3 LEU A 29 15.177 1.948 14.669 1.00 0.00 H new ATOM 0 HG LEU A 29 12.305 1.154 15.263 1.00 0.00 H new ATOM 0 HD11 LEU A 29 12.605 2.101 17.536 1.00 0.00 H new ATOM 0 HD12 LEU A 29 13.637 0.670 17.297 1.00 0.00 H new ATOM 0 HD13 LEU A 29 14.345 2.301 17.222 1.00 0.00 H new ATOM 0 HD21 LEU A 29 12.084 3.604 15.613 1.00 0.00 H new ATOM 0 HD22 LEU A 29 13.823 3.805 15.296 1.00 0.00 H new ATOM 0 HD23 LEU A 29 12.741 3.246 13.998 1.00 0.00 H new ATOM 528 N ASN A 30 14.796 0.958 11.025 1.00 0.00 N ATOM 529 CA ASN A 30 15.585 1.583 9.913 1.00 0.00 C ATOM 530 C ASN A 30 14.842 2.791 9.317 1.00 0.00 C ATOM 531 O ASN A 30 15.466 3.732 8.861 1.00 0.00 O ATOM 532 CB ASN A 30 15.764 0.485 8.857 1.00 0.00 C ATOM 533 CG ASN A 30 17.203 0.505 8.337 1.00 0.00 C ATOM 534 OD1 ASN A 30 17.520 1.238 7.423 1.00 0.00 O ATOM 535 ND2 ASN A 30 18.096 -0.277 8.882 1.00 0.00 N ATOM 0 H ASN A 30 14.275 0.121 10.762 1.00 0.00 H new ATOM 0 HA ASN A 30 16.544 1.956 10.272 1.00 0.00 H new ATOM 0 HB2 ASN A 30 15.536 -0.490 9.288 1.00 0.00 H new ATOM 0 HB3 ASN A 30 15.067 0.640 8.034 1.00 0.00 H new ATOM 0 HD21 ASN A 30 19.057 -0.271 8.539 1.00 0.00 H new ATOM 0 HD22 ASN A 30 17.833 -0.894 9.650 1.00 0.00 H new ATOM 542 N VAL A 31 13.526 2.774 9.314 1.00 0.00 N ATOM 543 CA VAL A 31 12.745 3.922 8.746 1.00 0.00 C ATOM 544 C VAL A 31 11.960 4.618 9.870 1.00 0.00 C ATOM 545 O VAL A 31 10.890 4.173 10.256 1.00 0.00 O ATOM 546 CB VAL A 31 11.801 3.302 7.700 1.00 0.00 C ATOM 547 CG1 VAL A 31 10.991 4.403 7.007 1.00 0.00 C ATOM 548 CG2 VAL A 31 12.611 2.545 6.640 1.00 0.00 C ATOM 0 H VAL A 31 12.959 2.011 9.682 1.00 0.00 H new ATOM 0 HA VAL A 31 13.383 4.679 8.291 1.00 0.00 H new ATOM 0 HB VAL A 31 11.128 2.612 8.209 1.00 0.00 H new ATOM 0 HG11 VAL A 31 10.326 3.955 6.269 1.00 0.00 H new ATOM 0 HG12 VAL A 31 10.400 4.941 7.748 1.00 0.00 H new ATOM 0 HG13 VAL A 31 11.670 5.096 6.511 1.00 0.00 H new ATOM 0 HG21 VAL A 31 11.933 2.111 5.905 1.00 0.00 H new ATOM 0 HG22 VAL A 31 13.292 3.235 6.142 1.00 0.00 H new ATOM 0 HG23 VAL A 31 13.184 1.751 7.119 1.00 0.00 H new ATOM 558 N ARG A 32 12.485 5.703 10.397 1.00 0.00 N ATOM 559 CA ARG A 32 11.785 6.443 11.498 1.00 0.00 C ATOM 560 C ARG A 32 12.073 7.951 11.420 1.00 0.00 C ATOM 561 O ARG A 32 13.202 8.363 11.205 1.00 0.00 O ATOM 562 CB ARG A 32 12.314 5.852 12.818 1.00 0.00 C ATOM 563 CG ARG A 32 13.852 5.809 12.837 1.00 0.00 C ATOM 564 CD ARG A 32 14.382 6.572 14.058 1.00 0.00 C ATOM 565 NE ARG A 32 14.712 7.944 13.565 1.00 0.00 N ATOM 566 CZ ARG A 32 15.424 8.752 14.302 1.00 0.00 C ATOM 567 NH1 ARG A 32 16.675 8.467 14.564 1.00 0.00 N ATOM 568 NH2 ARG A 32 14.881 9.847 14.767 1.00 0.00 N ATOM 0 H ARG A 32 13.375 6.109 10.108 1.00 0.00 H new ATOM 0 HA ARG A 32 10.704 6.330 11.420 1.00 0.00 H new ATOM 0 HB2 ARG A 32 11.955 6.450 13.656 1.00 0.00 H new ATOM 0 HB3 ARG A 32 11.919 4.845 12.952 1.00 0.00 H new ATOM 0 HG2 ARG A 32 14.195 4.775 12.867 1.00 0.00 H new ATOM 0 HG3 ARG A 32 14.248 6.250 11.922 1.00 0.00 H new ATOM 0 HD2 ARG A 32 13.635 6.610 14.851 1.00 0.00 H new ATOM 0 HD3 ARG A 32 15.263 6.083 14.473 1.00 0.00 H new ATOM 0 HE ARG A 32 14.380 8.249 12.650 1.00 0.00 H new ATOM 0 HH11 ARG A 32 17.092 7.614 14.192 1.00 0.00 H new ATOM 0 HH12 ARG A 32 17.232 9.098 15.140 1.00 0.00 H new ATOM 0 HH21 ARG A 32 13.908 10.064 14.553 1.00 0.00 H new ATOM 0 HH22 ARG A 32 15.431 10.484 15.344 1.00 0.00 H new ATOM 582 N GLY A 33 11.061 8.769 11.598 1.00 0.00 N ATOM 583 CA GLY A 33 11.255 10.251 11.541 1.00 0.00 C ATOM 584 C GLY A 33 11.412 10.801 12.962 1.00 0.00 C ATOM 585 O GLY A 33 12.419 10.503 13.586 1.00 0.00 O ATOM 586 OXT GLY A 33 10.525 11.512 13.402 1.00 0.00 O ATOM 0 H GLY A 33 10.103 8.469 11.781 1.00 0.00 H new ATOM 0 HA2 GLY A 33 12.137 10.490 10.948 1.00 0.00 H new ATOM 0 HA3 GLY A 33 10.403 10.721 11.050 1.00 0.00 H new TER 590 GLY A 33